CID 59650

N-metil-3-isogranatanina bromidrato [italian]

Structural Information

Molecular Formula

C₉H₁₇N

SMILES

CN1CC2CCCC(C2)C1

InChI

InChI=1S/C9H17N/c1-10-6-8-3-2-4-9(5-8)7-10/h8-9H,2-7H2,1H3

InChIKey

CLAPFBIHNSENPO-UHFFFAOYSA-N

Compound name

3-methyl-3-azabicyclo[3.3.1]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 139.1361 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	140.14338	131.0
[M+Na]+	162.12532	135.9
[M-H]-	138.12882	131.4
[M+NH4]+	157.16992	152.9
[M+K]+	178.09926	134.2
[M+H-H2O]+	122.13336	124.9
[M+HCOO]-	184.13430	146.6
[M+CH3COO]-	198.14995	175.6
[M+Na-2H]-	160.11077	137.6
[M]+	139.13555	125.2
[M]-	139.13665	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe